N-heptyl-3-(2-methoxyphenyl)prop-2-enamide

C17H25NO2 — CID 3506378

IUPACN-heptyl-3-(2-methoxyphenyl)prop-2-enamide
SMILESCCCCCCCNC(=O)C=Cc1ccccc1OC
InChIInChI=1S/C17H25NO2/c1-3-4-5-6-9-14-18-17(19)13-12-15-10-7-8-11-16(15)20-2/h7-8,10-13H,3-6,9,14H2,1-2H3,(H,18,19)
InChIKeyDOZJLPNZMHAMEC-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.80
Rot. Bonds9

About N-heptyl-3-(2-methoxyphenyl)prop-2-enamide

N-heptyl-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 3506378) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-heptyl-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-heptyl-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID3506378
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-heptyl-3-(2-methoxyphenyl)prop-2-enamide
SMILESCCCCCCCNC(=O)C=Cc1ccccc1OC
InChIInChI=1S/C17H25NO2/c1-3-4-5-6-9-14-18-17(19)13-12-15-10-7-8-11-16(15)20-2/h7-8,10-13H,3-6,9,14H2,1-2H3,(H,18,19)
InChIKeyDOZJLPNZMHAMEC-UHFFFAOYSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(heptylcarbamothioyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 6106605
N-butyl-4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 17195121
3-(2-chlorophenyl)-N-undecylprop-2-enamide
CID 3474839
5-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpentanoic acid
CID 104682529
(Z)-1-(2-methoxyphenyl)non-1-en-3-one
CID 92528941
(E)-N-hexyl-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 46538160
(E)-1-(2-methoxyphenyl)oct-1-en-3-one
CID 135037607
3-(3,4-dimethoxyphenyl)-N-hexadecylprop-2-enamide
CID 3419575
(E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide
CID 6075607
(E)-3-(2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 768479
(E)-3-(2-nitrophenyl)-N-octylprop-2-enamide
CID 70513240
N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846

Frequently Asked Questions

What is the IUPAC name of N-heptyl-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-heptyl-3-(2-methoxyphenyl)prop-2-enamide (CID 3506378) is N-heptyl-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-heptyl-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-heptyl-3-(2-methoxyphenyl)prop-2-enamide is CCCCCCCNC(=O)C=Cc1ccccc1OC.
What is the InChIKey of N-heptyl-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is DOZJLPNZMHAMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-4-5-6-9-14-18-17(19)13-12-15-10-7-8-11-16(15)20-2/h7-8,10-13H,3-6,9,14H2,1-2H3,(H,18,19).
What are the key properties of N-heptyl-3-(2-methoxyphenyl)prop-2-enamide?
N-heptyl-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 275.39 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 3506378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).